1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol

C30H30O6 — CID 3456938

IUPAC1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H30O6/c1-33-25-13-5-21(6-14-25)29(31,22-7-15-26(34-2)16-8-22)30(32,23-9-17-27(35-3)18-10-23)24-11-19-28(36-4)20-12-24/h5-20,31-32H,1-4H3
InChIKeyGJSYWZLTIIFQTD-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.89
Rot. Bonds9

About 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol

1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol (PubChem CID 3456938) has the molecular formula C30H30O6 and a molecular weight of 486.56 g/mol. Its IUPAC name is 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol
PubChem CID3456938
Molecular FormulaC30H30O6
Molecular Weight486.56 g/mol
Exact Mass486.20
IUPAC Name1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H30O6/c1-33-25-13-5-21(6-14-25)29(31,22-7-15-26(34-2)16-8-22)30(32,23-9-17-27(35-3)18-10-23)24-11-19-28(36-4)20-12-24/h5-20,31-32H,1-4H3
InChIKeyGJSYWZLTIIFQTD-UHFFFAOYSA-N
XLogP4.89
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol?
The IUPAC name of 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol (CID 3456938) is 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol?
The canonical SMILES for 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol is COc1ccc(C(O)(c2ccc(OC)cc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol?
The InChIKey is GJSYWZLTIIFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O6/c1-33-25-13-5-21(6-14-25)29(31,22-7-15-26(34-2)16-8-22)30(32,23-9-17-27(35-3)18-10-23)24-11-19-28(36-4)20-12-24/h5-20,31-32H,1-4H3.
What are the key properties of 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol?
1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol has a molecular weight of 486.56 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 3456938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).